N-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]-19-pyridin-1-ium-1-yl-nonadecanamide bromide

Systemtic Name: N-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]-19-pyridin-1-ium-1-yl-nonadecanamide bromide Openeye Name: N-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-19-pyridin-1-ium-1-yl-nonadecanamide bromide CAS Name: N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-19-(1-pyridin-1-iumyl)nonadecanamide bromide IUPAC Name: N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-19-pyridin-1-ium-1-ylnonadecanamide bromide Traditional Name: N-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-19-pyridin-1-ium-1-yl-nonadecanamide bromide Formula: C33H53BrN2O2 MolecularWeight: 589.69012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)NC(=O)CCCCCCCCCCCCCCCCCC[N+]2=CC=CC=C2.[Br-]

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)O)NC(=O)CCCCCCCCCCCCCCCCCC[N+]2=CC=CC=C2.[Br-]

InChI

InChI=1S/C33H52N2O2.BrH/c1-30(33(37)31-24-18-16-19-25-31)34-32(36)26-20-14-12-10-8-6-4-2-3-5-7-9-11-13-15-21-27-35-28-22-17-23-29-35;/h16-19,22-25,28-30,33,37H,2-15,20-21,26-27H2,1H3;1H/t30-,33-;/m1./s1